Chemical Properties of Propanoic acid, 2-methyl-, hexyl ester (CAS 2349-07-7)

Propanoic acid, 2-methyl-, hexyl ester

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InChI
InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3
InChI Key
CYHBDKTZDLSRMY-UHFFFAOYSA-N
Formula
C10H20O2
SMILES
CCCCCCOC(=O)C(C)C
Molecular Weight1
172.26
CAS
2349-07-7
Other Names
  • 1-Hexyl isobutyrate
  • Hexyl 2-methylpropanoate
  • Hexyl 2-methylpropionate
  • Hexyl isobutanoate
  • Hexyl isobutyrate
  • Isobutyric acid, hexyl ester
  • NSC 46108
  • n-Hexyl isobutanoate
  • n-Hexyl isobutyrate
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Physical Properties

Property Value Unit Source
Δf -203.04 kJ/mol Joback Calculated Property
Δfgas -499.81 kJ/mol Joback Calculated Property
Δfus 20.92 kJ/mol Joback Calculated Property
Δvap 46.62 kJ/mol Joback Calculated Property
log10WS -2.63 Crippen Calculated Property
logPoct/wat 2.766 Crippen Calculated Property
McVol 159.200 ml/mol McGowan Calculated Property
Pc 2216.62 kPa Joback Calculated Property
Inp [1092.00; 1175.00]   Show Hide
Inp 1117.00 NIST
Inp 1137.00 NIST
Inp 1138.00 NIST
Inp 1137.00 NIST
Inp 1137.00 NIST
Inp Outlier 1175.00 NIST
Inp 1117.00 NIST
Inp 1132.00 NIST
Inp 1150.00 NIST
Inp 1150.00 NIST
Inp 1156.00 NIST
Inp 1151.00 NIST
Inp 1134.00 NIST
Inp 1145.20 NIST
Inp 1148.50 NIST
Inp 1132.00 NIST
Inp 1131.00 NIST
Inp 1105.00 NIST
Inp 1151.00 NIST
Inp 1127.00 NIST
Inp 1150.00 NIST
Inp 1149.00 NIST
Inp 1152.00 NIST
Inp Outlier 1092.00 NIST
Inp 1130.00 NIST
Inp 1150.00 NIST
Inp 1147.00 NIST
Inp Outlier 1092.00 NIST
Inp 1135.00 NIST
Inp 1135.00 NIST
Inp 1134.00 NIST
Inp 1135.00 NIST
Inp 1126.00 NIST
Inp 1152.00 NIST
Inp 1127.00 NIST
Inp 1117.00 NIST
Inp 1135.00 NIST
Inp 1126.00 NIST
Inp 1117.00 NIST
Inp 1145.20 NIST
Inp 1132.00 NIST
Inp 1134.00 NIST
I [1331.00; 1353.00]   Show Hide
I 1339.00 NIST
I 1335.00 NIST
I 1337.00 NIST
I 1350.00 NIST
I 1353.00 NIST
I 1342.00 NIST
I 1345.00 NIST
I 1333.00 NIST
I 1336.00 NIST
I 1339.00 NIST
I 1336.00 NIST
I 1339.00 NIST
I 1331.00 NIST
I 1333.00 NIST
I 1353.00 NIST
I 1350.00 NIST
I 1335.00 NIST
I 1331.00 NIST
Tboil 472.00 ± 3.00 K NIST
Tc 679.81 K Joback Calculated Property
Tfus 259.62 K Joback Calculated Property
Vc 0.614 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [368.31; 447.14] J/mol×K [504.05; 679.81] Show Hide
Cp,gas 368.31 J/mol×K 504.05 Joback Calculated Property
Cp,gas 382.82 J/mol×K 533.34 Joback Calculated Property
Cp,gas 396.77 J/mol×K 562.64 Joback Calculated Property
Cp,gas 410.17 J/mol×K 591.93 Joback Calculated Property
Cp,gas 423.03 J/mol×K 621.22 Joback Calculated Property
Cp,gas 435.35 J/mol×K 650.52 Joback Calculated Property
Cp,gas 447.14 J/mol×K 679.81 Joback Calculated Property
η [0.0002109; 0.0046674] Pa×s [259.62; 504.05] Show Hide
η 0.0046674 Pa×s 259.62 Joback Calculated Property
η 0.0019627 Pa×s 300.36 Joback Calculated Property
η 0.0010151 Pa×s 341.10 Joback Calculated Property
η 0.0006043 Pa×s 381.84 Joback Calculated Property
η 0.0003976 Pa×s 422.57 Joback Calculated Property
η 0.0002816 Pa×s 463.31 Joback Calculated Property
η 0.0002109 Pa×s 504.05 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [354.92; 505.38] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47536e+01
Coefficient B-4.09086e+03
Coefficient C-7.21300e+01
Temperature range, min.354.92
Temperature range, max.505.38
Pvap 1.33 kPa 354.92 Calculated Property
Pvap 2.99 kPa 371.64 Calculated Property
Pvap 6.15 kPa 388.36 Calculated Property
Pvap 11.78 kPa 405.07 Calculated Property
Pvap 21.20 kPa 421.79 Calculated Property
Pvap 36.16 kPa 438.51 Calculated Property
Pvap 58.86 kPa 455.23 Calculated Property
Pvap 92.00 kPa 471.94 Calculated Property
Pvap 138.71 kPa 488.66 Calculated Property
Pvap 202.63 kPa 505.38 Calculated Property

Similar Compounds

Propanoic acid, 2-methyl-, heptyl ester. Propanoic acid, 2-methyl-, decyl ester. Eicosyl isobutyrate. Propanoic acid, 2-methyl-, octyl ester. Propanoic acid, 2-methyl-, nonyl ester. Propanoic acid, 2-methyl-, pentyl ester. hexyl-d3 proprionate. Propanoic acid, hexyl ester. Propanoic acid, 2,2-dimethyl-, hexyl ester. Propanoic acid, heptyl ester. 4-Methylhexyl isobutyrate. Eicosanyl propionate. Propanoic acid, decyl ester. Propanoic acid, octadecyl ester. Propanoic acid, octyl ester.

Find more compounds similar to Propanoic acid, 2-methyl-, hexyl ester.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.